(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C15H20Cl2N2O4S — CID 8991586

IUPAC(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESC[C@H](C(=O)NC[C@@H]1CCCO1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H20Cl2N2O4S/c1-10(15(20)18-9-12-4-3-7-23-12)19(24(2,21)22)14-8-11(16)5-6-13(14)17/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,18,20)/t10-,12+/m1/s1
InChIKeySFTXMYLNKSOJHB-PWSUYJOCSA-N
MW395.31 g/mol
LogP2.44
Rot. Bonds6

About (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide

(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 8991586) has the molecular formula C15H20Cl2N2O4S and a molecular weight of 395.31 g/mol. Its IUPAC name is (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID8991586
Molecular FormulaC15H20Cl2N2O4S
Molecular Weight395.31 g/mol
Exact Mass394.05
IUPAC Name(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESC[C@H](C(=O)NC[C@@H]1CCCO1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H20Cl2N2O4S/c1-10(15(20)18-9-12-4-3-7-23-12)19(24(2,21)22)14-8-11(16)5-6-13(14)17/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,18,20)/t10-,12+/m1/s1
InChIKeySFTXMYLNKSOJHB-PWSUYJOCSA-N
XLogP2.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 8991497
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propanamide
CID 133250508
2-[[(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 124812011
(2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7473261
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124720005
(2R)-N-cycloheptyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 8991594
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561154
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2235690
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1135711
(2R)-N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 99130811
N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 53281295
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 8991605

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 8991586) is (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide is C[C@H](C(=O)NC[C@@H]1CCCO1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is SFTXMYLNKSOJHB-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H20Cl2N2O4S/c1-10(15(20)18-9-12-4-3-7-23-12)19(24(2,21)22)14-8-11(16)5-6-13(14)17/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,18,20)/t10-,12+/m1/s1.
What are the key properties of (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 395.31 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 8991586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).